Geometry & MOs

Info

ID:	321320
PubChem CID:	126665800
Reduced:	ClOF3N5H27C37 (1)
Stoich.:	ABC3D5E27F37 (1)
Weight, g/mol:	480.17731
ΔH_f, kcal/mol:	4.93
Dipole, Da:	3.1
IP(EA), eV:	-8.49(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[methoxy(phenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)C5=C6C=CC=CC6=C(C7=CC=CC=C75)Cl

DOS

IR

Vibrations